CID 3053912

Acetamide, n-(2-benzoyl-4-chlorophenyl)-2-(cyclohexyl(1-methylethyl)amino)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C25H31ClN2O2
SMILES
CC(C)N(CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C25H31ClN2O2/c1-18(2)28(21-12-8-5-9-13-21)17-24(29)27(3)23-15-14-20(26)16-22(23)25(30)19-10-6-4-7-11-19/h4,6-7,10-11,14-16,18,21H,5,8-9,12-13,17H2,1-3H3
InChIKey
YAWFJEALASEOMR-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.2074 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21468 205.1
[M+Na]+ 449.19662 205.8
[M-H]- 425.20012 215.2
[M+NH4]+ 444.24122 215.3
[M+K]+ 465.17056 202.3
[M+H-H2O]+ 409.20466 195.3
[M+HCOO]- 471.20560 219.1
[M+CH3COO]- 485.22125 238.4
[M+Na-2H]- 447.18207 200.9
[M]+ 426.20685 205.2
[M]- 426.20795 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.